SCHEMBL31480436

SCHEMBL31480436

COC(=O)c1ccc(C2CC3(CCN2)CC(F)(F)C3)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.42
HPGD P15428 4/20 0.41
ESRRA P11474 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
WDR5 P61964 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
CACNA1F O60840 1/20 0.35
GMNN O75496 1/20 0.35
KCNK2 O95069 1/20 0.35
ABCB11 O95342 1/20 0.35
GSR P00390 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31480590 0.85 HPGD (0.42) VCAM1HPGDESRRAKMT2AMEN1
SCHEMBL31480289 0.83 VCAM1 (0.46) VCAM1HPGDESRRAKMT2AMEN1
SCHEMBL31480447 0.80 MAPT (0.33) HPGDKMT2AMEN1ALDH1A1NPSR1
SCHEMBL31480467 0.80 ALDH1A1 (0.35) HPGDKMT2AMEN1ALDH1A1NPSR1
SCHEMBL31480395 0.80 NISCH (0.34) HPGDKMT2AMEN1ALDH1A1NPSR1
SCHEMBL31480243 0.80 KDM4E (0.43) HPGDKMT2AALDH1A1NPSR1MAPT
SCHEMBL31480400 0.80 KDM4E (0.41) HPGDKMT2AMEN1ALDH1A1NPSR1
SCHEMBL25318693 0.79 NPC1 (0.40) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL31140806 0.79 NPC1 (0.40) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL25901195 0.79 NPC1 (0.40) HPGDKMT2AMEN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054361-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2025-03-13 WO disclosed